Geometry & MOs

Info

ID:	302378
PubChem CID:	124361526
Reduced:	S2N3O6C21H37 (1)
Stoich.:	A2B3C6D21E37 (1)
Weight, g/mol:	414.211449
ΔH_f, kcal/mol:	-313.54
Dipole, Da:	5.79
IP(EA), eV:	-8.55(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-4-amino-2-[[1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]piperidine-4-carbonyl]amino]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@@H](CCSC)C(=O)N1CCC(CC1)C(=O)N[C@H](CCSC)C(=O)O

DOS

IR

Vibrations